Information card for entry 7052164

Structure parameters

• Formula: C61 H60 N4 O5 Zn2
• Calculated formula: C61 H60 N4 O5 Zn2
• SMILES: [Zn]123([O]([Zn]4567)c8c(cccc8C=[N]7c7cc8c(cc7[N]4=Cc4cccc(c4O5)C(C)C)cccc8)C(C)C)[O]6c4c(cccc4C=[N]1c1cc4c(cc1[N]2=Cc1c(O3)c(ccc1)C(C)C)cccc4)C(C)C.CO
• Title of publication: Zinc‒salophen complexes as selective receptors for tertiary amines
• Authors of publication: Dalla Cort, Antonella; Mandolini, Luigi; Pasquini, Chiara; Rissanen, Kari; Russo, Luca; Schiaffino, Luca
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 1633
• a: 13.409 ± 0.003 Å
• b: 14.202 ± 0.003 Å
• c: 15.345 ± 0.003 Å
• α: 109.09 ± 0.03°
• β: 99.73 ± 0.03°
• γ: 99.82 ± 0.03°
• Cell volume: 2640.6 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No